Compound Detail
CHEMBL5778995
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COC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2c(sc(CNS(=O)(=O)c3ccccc3)c2C)-n2c(C)nnc21
Basic Information
| ChEMBL ID | CHEMBL5778995 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XLAWIKASUIIZGC-FQEVSTJZSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
570.1
MW (Da)
4.53
ALogP
9
HBA
1
HBD
115.5
PSA (Ų)
0.33
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bromodomain-containing protein 4 CHEMBL1163125 | IC50 | 7.8 | 7.8 | 16.0 | 1 |
| Bromodomain testis-specific protein CHEMBL1795185 | IC50 | 7.22 | 7.22 | 60.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bromodomain-containing protein 4 | IC50 | = | 16.0 | nM | 7.8 | ATPLITE assay: Acetyl-Histone Binding Assay. Assays were performed as described ... | - |
| Bromodomain testis-specific protein | IC50 | = | 60.0 | nM | 7.22 | ATPLITE assay: Acetyl-Histone Binding Assay. Assays were performed as described ... | - |
Data from ChEMBL 36 via Core Engine